General Information of the Compound
Compound ID
CP0389208
Compound Name
2-[4-(dimethylamino)phenyl]-N-(1-phenylpyrazol-3-yl)acetamide
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Structure
Formula
C19H20N4O
Molecular Weight
320.396
Canonical SMILES
CN(C)c1ccc(CC(=O)Nc2ccn(n2)-c2ccccc2)cc1
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InChI
InChI=1S/C19H20N4O/c1-22(2)16-10-8-15(9-11-16)14-19(24)20-18-12-13-23(21-18)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,20,21,24)
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InChIKey
RAOKFKHTIMOJKW-UHFFFAOYSA-N
Physicochemical Property
logP
3.1195
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 145966315
ChEMBL ID
CHEMBL4208838
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 6300 nM
   TI
   LI
   LO
   TS
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS